6-(4-Acetyl-1-Piperazinyl)-2-Chloro-5-Fluoronicotinonitrile
[CAS# 113237-21-1]

Identification

• Name: 6-(4-Acetyl-1-Piperazinyl)-2-Chloro-5-Fluoronicotinonitrile
• Synonyms: 6-(4-Acetylpiperazin-1-yl)-2-chloro-5-fluoronicotinonitrile; 6-(4-acetylpiperazinyl)-2-chloro-5-fluoropyridine-3-carbonitrile; MFCD10703550
• Molecular Formula: C₁₂H₁₂ClFN₄O
• Molecular Weight: 282.70
• CAS Registry Number: 113237-21-1
• SMILES: CC(=O)N1CCN(CC1)c2c(cc(c(n2)Cl)C#N)F
• InChI: 1S/C12H12ClFN4O/c1-8(19)17-2-4-18(5-3-17)12-10(14)6-9(7-15)11(13)16-12/h6H,2-5H2,1H3
• InChIKey: IHECUHYXUSTMBQ-UHFFFAOYSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 507.06°C at 760 mmHg (Cal.)
• Flash point: 260.461°C (Cal.)
• Refractive index: 1.598 (Cal.)

Safety Data

• Safety Description: IRRITANT